DSBD distills a dual-aligned structural basis to adapt GNNs across graphs with structural distribution shifts, outperforming prior methods on benchmarks.
Distinguishing enzyme structures from non-enzymes without alignments.Journal of molecular biology, 330(4):771–783
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A 256-qubit neutral atom simulator computes Quantum Evolution Kernels for graph classification on the PROTEINS dataset, achieving slightly better performance than classical kernels.
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